el1:  Al
struct:  fcc
lp:  4.05
ecoh:  3.353
surf:  100
size:  (1.0, 1.0, 7.0)
vacuum:  4.0
orig
n1: 7
ene1: -22.323413
ene1pa: -3.189059
esub: -3.353
sarea1:  8.20125
esurff1:  1120.94919866  mJ/m^2
relaxed
ene2m: -22.356914
ene2mpa: -3.19384485714
sarea2:  8.20125
esurff2m:  1088.22582422  mJ/m^2
